1,3-dihydrobenzo[e][2]benzofuran-3-ol

C12H10O2 — CID 130127539

IUPAC1,3-dihydrobenzo[e][2]benzofuran-3-ol
SMILESOC1OCc2c1ccc1ccccc21
InChIInChI=1S/C12H10O2/c13-12-10-6-5-8-3-1-2-4-9(8)11(10)7-14-12/h1-6,12-13H,7H2
InChIKeyNXGSFLCUSLAJQF-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.36
Rot. Bonds

About 1,3-dihydrobenzo[e][2]benzofuran-3-ol

1,3-dihydrobenzo[e][2]benzofuran-3-ol (PubChem CID 130127539) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1,3-dihydrobenzo[e][2]benzofuran-3-ol.

Molecular Properties

Compound Name1,3-dihydrobenzo[e][2]benzofuran-3-ol
PubChem CID130127539
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name1,3-dihydrobenzo[e][2]benzofuran-3-ol
SMILESOC1OCc2c1ccc1ccccc21
InChIInChI=1S/C12H10O2/c13-12-10-6-5-8-3-1-2-4-9(8)11(10)7-14-12/h1-6,12-13H,7H2
InChIKeyNXGSFLCUSLAJQF-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,3-dihydrobenzo[e][2]benzofuran-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,14-dihydrobenzo[a]tetracen-7-ol
CID 177323906
(4R)-3,4-dihydro-1H-benzo[h]isothiochromen-4-ol
CID 82885880
(2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol
CID 129404909
(1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol
CID 22843614
4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol
CID 100944396
(5S)-2,3,4,5-tetrahydrobenzo[i][1]benzoxepin-5-ol
CID 79014244
2-methylidene-3,4-dihydrobenzo[h]chromen-4-ol
CID 177433025
ethane;(13R,14R,17S)-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-17-ol
CID 91344405
3-(1-benzofuran-2-yl)-1H-benzo[f][1,3]benzodioxine
CID 176765840
phenanthrene;phosphinous acid
CID 174826862
(2R,3S)-2-naphthalen-1-ylazetidin-3-ol
CID 124638979
1-(1,3-dioxolan-2-yl)-3-naphthalen-1-ylpropan-2-one
CID 103543638

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydrobenzo[e][2]benzofuran-3-ol?
The IUPAC name of 1,3-dihydrobenzo[e][2]benzofuran-3-ol (CID 130127539) is 1,3-dihydrobenzo[e][2]benzofuran-3-ol.
What is the SMILES notation for 1,3-dihydrobenzo[e][2]benzofuran-3-ol?
The canonical SMILES for 1,3-dihydrobenzo[e][2]benzofuran-3-ol is OC1OCc2c1ccc1ccccc21.
What is the InChIKey of 1,3-dihydrobenzo[e][2]benzofuran-3-ol?
The InChIKey is NXGSFLCUSLAJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c13-12-10-6-5-8-3-1-2-4-9(8)11(10)7-14-12/h1-6,12-13H,7H2.
What are the key properties of 1,3-dihydrobenzo[e][2]benzofuran-3-ol?
1,3-dihydrobenzo[e][2]benzofuran-3-ol has a molecular weight of 186.21 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydrobenzo[e][2]benzofuran-3-ol is sourced from PubChem (CID 130127539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).